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4ZKL
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BU of 4zkl by Molmil
Crystal structure of human histidine triad nucleotide-binding protein 1 (hHINT1) complexed with JB419 (AP4A analog)
Descriptor: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[2-[[(2S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Dolot, R.M, Kaczmarek, R, Seda, A, Krakowiak, A, Baraniak, J, Nawrot, B.
Deposit date:2015-04-30
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystallographic studies of the complex of human HINT1 protein with a non-hydrolyzable analog of Ap4A.
Int.J.Biol.Macromol., 87, 2016
1NQ0
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BU of 1nq0 by Molmil
TR Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal LBD
Descriptor: ARSENIC, Thyroid hormone receptor beta-1, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Authors:Huber, B.R, Desclozeaux, M, West, B.L, Cunha-Lima, S.T, Nguyen, H.T, Baxter, J.D, Ingraham, H.A, Fletterick, R.J.
Deposit date:2003-01-20
Release date:2003-04-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Thyroid hormone receptor-beta mutations conferring hormone resistance and reduced corepressor release exhibit decreased stability in the N-terminal ligand-binding domain
Mol.Endocrinol., 17, 2003
4A4V
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BU of 4a4v by Molmil
Ligand binding domain of human PPAR gamma in complex with amorfrutin 2
Descriptor: AMORFRUTIN 2, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
Authors:de Groot, J.C, Weidner, C, Krausze, J, Kawamoto, K, Schroeder, F.C, Sauer, S, Buessow, K.
Deposit date:2011-10-20
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Amorfrutins Bound to the Peroxisome Proliferator-Activated Receptor Gamma.
J.Med.Chem., 56, 2013
6S35
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BU of 6s35 by Molmil
LSD1/CoREST1 complex with macrocyclic peptide inhibitor
Descriptor: ALA-ARG-(D)LYS-MET-GLN-GLU-ALA-ARG-LYS-SER-THR, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
Authors:Talibov, V.O, Dobritzsch, D.
Deposit date:2019-06-24
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1.
Acs Omega, 5, 2020
2Q60
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BU of 2q60 by Molmil
Crystal structure of the ligand binding domain of polyandrocarpa misakiensis rxr in tetramer in absence of ligand
Descriptor: Retinoid X receptor
Authors:Borel, F, De Groot, A, Juillan-Binard, C, De Rosny, E, Laudet, V, Pebay-Peyroula, E, Fontecilla-Camps, J.-C, Ferrer, J.-L.
Deposit date:2007-06-04
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the ligand-binding domain of the retinoid X receptor from the ascidian polyandrocarpa misakiensis.
Proteins, 74, 2008
1QKM
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BU of 1qkm by Molmil
HUMAN OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH PARTIAL AGONIST GENISTEIN
Descriptor: ESTROGEN RECEPTOR BETA, GENISTEIN
Authors:Pike, A.C.W, Brzozowski, A.M, Carlquist, M.
Deposit date:1999-07-27
Release date:2000-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Ligand-Binding Domain of Oestrogen Receptor Beta in the Presence of a Partial Agonist and a Full Antagonist
Embo J., 18, 1999
6SQF
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BU of 6sqf by Molmil
Crystal structure of CREBBP bromodomain complexed with LB32A
Descriptor: CREB-binding protein, ~{N}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
Authors:Bedi, R.K, Laul, E, Nevado, C, Caflisch, A.
Deposit date:2019-09-03
Release date:2020-09-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Crystal structure of CREBBP bromodomain complexed with LB32A
To Be Published
8CVS
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BU of 8cvs by Molmil
Human PA200-20S proteasome with MG-132
Descriptor: INOSITOL HEXAKISPHOSPHATE, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide, Proteasome activator complex subunit 4, ...
Authors:Zhao, J.
Deposit date:2022-05-18
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
8KGF
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BU of 8kgf by Molmil
Structure of AmCas12a with crRNA
Descriptor: CRISPR-associated endonuclease Cas12a, MAGNESIUM ION, RNA (44-MER)
Authors:Feng, Y, Zhang, X, Shi, J, Ma, P, Tang, J, Huang, X.
Deposit date:2023-08-18
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:A novel CRISPR/Cas12a in complex with a crRNA.
To Be Published
4YKO
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BU of 4yko by Molmil
Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y:A32Y:F3Q mutant of human Cellular Retinoic Acid Binding Protein II with Retinal at 1.58 angstrom resolution
Descriptor: Cellular retinoic acid-binding protein 2, RETINAL
Authors:Nosrati, M, Geiger, J.
Deposit date:2015-03-04
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution.
J.Am.Chem.Soc., 138, 2016
6T0U
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BU of 6t0u by Molmil
Bat Influenza A polymerase product dissociation complex using 44-mer vRNA template with intact oligo(U) sequence
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit, ...
Authors:Wandzik, J.M, Kouba, T, Cusack, S.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 181, 2020
6T0V
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BU of 6t0v by Molmil
Bat Influenza A polymerase elongation complex with incoming UTP analogue (complete polymerase)
Descriptor: 3' vRNA, 5' vRNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ...
Authors:Wandzik, J.M, Kouba, T, Cusack, S.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 181, 2020
4YBU
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BU of 4ybu by Molmil
Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human Cellular Retinoic Acid Binding ProteinII in complex with Retinal after 24 h incubation and 1 hour UV irradiation at 1.92 angstrom - 1st cycle
Descriptor: Cellular retinoic acid-binding protein 2, RETINAL
Authors:Nosrati, M, Geiger, J.H.
Deposit date:2015-02-19
Release date:2016-02-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.924 Å)
Cite:A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution.
J.Am.Chem.Soc., 138, 2016
4YCH
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BU of 4ych by Molmil
Crystal Structure of R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human Cellular Retinoic Acid Binding ProteinII with Retinal at 1.96 Angstrom - UV irradiated Crystal for 1 hour - 2nd cycle
Descriptor: Cellular retinoic acid-binding protein 2, RETINAL
Authors:Nosrati, M, Geiger, J.H.
Deposit date:2015-02-20
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution.
J.Am.Chem.Soc., 138, 2016
6T0W
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BU of 6t0w by Molmil
Human Influenza B polymerase recycling complex
Descriptor: Polymerase PB2, Polymerase acidic protein, RNA-directed RNA polymerase catalytic subunit, ...
Authors:Wandzik, J.M, Kouba, T, Karuppasamy, M, Cusack, S.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 181, 2020
5G5P
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BU of 5g5p by Molmil
Structure of the Saccharomyces cerevisiae TREX-2 complex
Descriptor: 26S PROTEASOME COMPLEX SUBUNIT SEM1, NUCLEAR MRNA EXPORT PROTEIN SAC3, NUCLEAR MRNA EXPORT PROTEIN THP1
Authors:Aibara, S, Bai, X.C, Stewart, M.
Deposit date:2016-05-26
Release date:2016-11-23
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (5.3 Å)
Cite:The Sac3 Tpr-Like Region in the Saccharomyces Cerevisiae Trex-2 Complex is More Extensive But Independent of the Cid Region
J.Struct.Biol., 195, 2016
7VW5
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BU of 7vw5 by Molmil
Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold
Descriptor: MAGNESIUM ION, RNA-directed RNA polymerase nsP4
Authors:Tan, Y.B, Luo, D.
Deposit date:2021-11-09
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold.
Nucleic Acids Res., 50, 2022
4YE8
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BU of 4ye8 by Molmil
The crystal structure of the Y57H mutant of human GlnRS
Descriptor: Glutamine--tRNA ligase
Authors:Ognjenovic, J, Wu, J, Ling, J, Simonovic, M.
Deposit date:2015-02-23
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The crystal structure of human GlnRS provides basis for the development of neurological disorders.
Nucleic Acids Res., 44, 2016
7VB4
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BU of 7vb4 by Molmil
A crystal structure of alphavirus nonstructural protein 4 (nsP4) reveals an intrinsically dynamic RNA-dependent RNA polymerase
Descriptor: GLYCEROL, MAGNESIUM ION, RNA-directed RNA polymerase nsP4
Authors:Tan, Y.B, Luo, D.
Deposit date:2021-08-30
Release date:2022-02-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold.
Nucleic Acids Res., 50, 2022
4YOS
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BU of 4yos by Molmil
p107 pocket domain complexed with LIN52 peptide
Descriptor: 1,2-ETHANEDIOL, Protein lin-52 homolog, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, ...
Authors:Guiley, K.Z, Liban, T.J, Felthousen, J.G, Ramanan, P, Tripathi, S, Litovchick, L, Rubin, S.M.
Deposit date:2015-03-12
Release date:2015-05-27
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural mechanisms of DREAM complex assembly and regulation.
Genes Dev., 29, 2015
1XV9
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BU of 1xv9 by Molmil
crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid, and 5b-pregnane-3,20-dione.
Descriptor: (5BETA)-PREGNANE-3,20-DIONE, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ...
Authors:Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T.
Deposit date:2004-10-27
Release date:2004-12-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer.
Mol.Cell, 16, 2004
5G2E
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BU of 5g2e by Molmil
Structure of the Nap1 H2A H2B complex
Descriptor: HISTONE H2A TYPE 1, HISTONE H2B 1.1, NUCLEOSOME ASSEMBLY PROTEIN
Authors:AguilarGurrieri, C, Larabi, A, Vinayachandran, V, Patel, N.A, Yen, K, Reja, R, Ebong, I.O, Schoehn, G, Robinson, C.V, Pugh, B.F, Panne, D.
Deposit date:2016-04-07
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (6.7 Å)
Cite:Structural Evidence for Nap1-Dependent H2A-H2B Deposition and Nucleosome Assembly.
Embo J., 35, 2016
3V3Q
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BU of 3v3q by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ...
Authors:Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
Deposit date:2011-12-14
Release date:2012-09-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
7VDQ
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BU of 7vdq by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 7
Descriptor: 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid, Cyclin-dependent kinase 5 activator 1, p25, ...
Authors:Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
Deposit date:2021-09-07
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
7VDS
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BU of 7vds by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24
Descriptor: 1,2-ETHANEDIOL, 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile, CHLORIDE ION, ...
Authors:Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
Deposit date:2021-09-07
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022

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